N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[[(2R)-2-oxolanyl]methylthio]benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzamide Formula: C25H32N2O4S2 MolecularWeight: 488.66258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC3CCCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SC[C@H]3CCCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H32N2O4S2/c1-19-12-13-20(17-24(19)33(29,30)27-14-6-2-3-7-15-27)26-25(28)22-10-4-5-11-23(22)32-18-21-9-8-16-31-21/h4-5,10-13,17,21H,2-3,6-9,14-16,18H2,1H3,(H,26,28)/t21-/m1/s1